CAS: 96-72-0; 2-Chloro-5-Nitrobenzenesulfonamide

• 英文名称2-Chloro-5-Nitrobenzenesulfonamide
• 中文名称2-氯-5-硝基苯磺酰胺
• IUPAC名称2-chloro-5-nitrobenzenesulfonamide
• 其它别名2-氯-5-硝基苯磺酰胺(Cas号:96-72-0)
• CAS编号96-72-0
• MFCD编号:MFCD00035780
• EINECS号:202-527-3
• FDA UNII编号:WNF2FJ5TNJ
• 分子式:C6H5ClN2O4S
• 分子量:236.63
• 产品CID: 2018578
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: ZAJALNCZCSSGJC-UHFFFAOYSA-N
• InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)…
• 计算化学: 氢键受体数4.0氢键供体数1可旋转键数2

物理性质

• 熔点180-183°C
• 沸点435.2°C at 760 mmHg
• 闪点216.991 °C
• 密度3>1.664 g/ cm3
• PSA:103.3
• LogP:0.8956
• 折射率1.621
• 蒸汽压8.93E-08 mmHg at 25 °C
• 溶解性Dichloromethane, Ethyl Acetate, Methanol
• 外观形态白色固体
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤致敏 类别1
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P272-P280-P302+P352-P362
• 安全声明S45,S53,S61
• 危险类别码R25:吞咽有毒.R36:刺激眼睛.

欧盟法规

上下游产品

合成工艺路线路线简述

• 4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Ammonia Solvents: Water; 1 H,Rt
  标题:Preparation Of Aryleneheteroarylenes,Bisarylenes,And Biheteroarylenes End-Capped With Amino Acid And Peptide Derivatives As Inhibitors Of Hepatitis C Virus Replication For Treating Hepatitis C Infection And Liver Fibrosis
  参考文献:World Intellectual Property Organization]
  
  4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Pyridine,Ammonia Solvents: 1,4-Dioxane; 50 °C
  标题:Preparation Of Aromatic Sulfonamide Derivatives As P2X4 Antagonists Or Negative Allosteric Modulators Useful For Treating And Preventing Diseases
  参考文献:World Intellectual Property Organization]
  
  6283-25-6 = 96-72-0
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water; 30 Min,-5 °C; 30 Min,-5 °C1.2 Reagents: Sulfur Dioxide,Cuprous Chloride Solvents: Acetic Acid,Water; -5 °C1.3 Reagents: Water; Cooled1.4 Reagents: Ammonium Hydroxide Solvents: Water; 18 H,Rt1.5 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Preparation Of Substituted Phenylsulfonylurea Compounds As Thromboxane Receptor Binding Agents Useful For Treating Proliferative Disorders And Viral Infections
  参考文献:World Intellectual Property Organization]
  
  6283-25-6 = 96-72-0
  反应条件:1.1 Reagents: Sulfur Dioxide Solvents: Acetic Acid; 30 Min1.2 Reagents: Cupric Chloride Solvents: Water; -5 °C1.3 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Acetic Acid,Water; -5 °C; -5 °C1.4 15 Min,-5 °C1.5 Reagents: Ammonium Hydroxide Solvents: 1,4-Dioxane,Water; 30 Min,-5 °C1.6 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis,Pharmacological And Structural Characterization,And Thermodynamic Aspects Of Glua2-Positive Allosteric Modulators With A 3,4-Dihydro-2H-1,2,4-Benzothiadiazine 1,1-Dioxide Scaffold
  作者:Noerholm,Ann-Beth; Francotte,Pierre; Olsen,Lars; Krintel,Christian; Frydenvang,Karla; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(21) 页码:8736-8745]
  
  4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; 1 H,Rt
  标题:Design,Synthesis,In Vitro And In Vivo Characterization Of Selective Nkcc1 Inhibitors For The Treatment Of Core Symptoms In Down Syndrome
  作者:Borgogno,Marco; Savardi,Annalisa; Manigrasso,Jacopo; Turci,Alessandra; Portioli,Corinne; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2021 卷标:64(14) 页码:10203-10229]
  
  4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; Cooled; 1 H,Rt
  标题:Preparation Of 2-Aminobenzenesulfonamide Derivatives As Modulators Of Intracellular Chloride Concentration
  参考文献:World Intellectual Property Organization]
  
  = 96-72-0
  反应条件:1.1 Reagents: Chlorosulfonic Acid; Overnight,120 °C1.2 Reagents: Water; Cooled1.3 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; Cooled; 1 H,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Novel 4,6-Disubstituted Aminopyrimidine Derivatives As Cdk9 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; 4 H,Reflux1.2 Reagents: Water1.3 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran,Water; 2 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:5,6-Dihydro-1H-Pyridin-2-One Compounds As Hcv Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Hepatitis C Virus Infection
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; Rt -> Reflux; 4 H,Reflux1.2 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran; 2 H,-10 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of Pyrro[1,2-B]Pyridazinone Derivatives Useful In Treating Infections By Hepatitis C Virus
  参考文献:World Intellectual Property Organization]
  
  4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Ammonia Solvents: Water; 10 °C; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,Rt
  标题:Synthesis And Evaluation Of Novel Monosubstituted Sulfonylurea Derivatives As Antituberculosis Agents
  作者:Pan,Li; Jiang,Ying; Liu,Zhen; Liu,Xing-Hai; Liu,Zhuo; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2012 卷标:50 页码:18-26]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 4 H,Rt -> Reflux1.2 Solvents: Water1.3 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran; 1 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of Fused Thiadiazinediones,Particularly Dioxothiadiazinylnaphthalenones,As Antiviral Agents For The Treatment Of Infections Involving Rna-Containing Viral Species Such As Hepatitis B And C And Hiv
  参考文献:United States]
  
  4533-95-3 + 96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 4 H,Reflux1.2 Solvents: Water1.3 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran,Water; 2 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:A Method Of Inhibiting Hepatitis C Virus By Administering A Combination Of A 5,6-Dihydro-1H-Pyridin-2-One Compound And One Or More Additional Antiviral Compounds
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 4 H,Rt -> Reflux; Cooled1.2 Reagents: Sulfuryl Chloride Solvents: Toluene1.3 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; 2 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of 4-Hydroxy-5,6-Dihydro-1H-Pyridin-2-One Compounds For Treating Hepatitis C Virus Infections
  参考文献:United States]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; 4 H,Rt -> Reflux1.2 Reagents: Water1.3 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran,Water; 2 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of Benzo[1,2,4]Thiadiazine Derivatives For Treatment Of Hepatitis C Viral Infections
  参考文献:United States]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Dimethylformamide,Thionyl Chloride; 4 H,Rt -> Reflux1.2 Reagents: Water1.3 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran,Water; 2 H,-10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of Pyridazinones For Treatment Of Hepatitis C Infection.
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; 4 H,Rt -> Reflux1.2 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran,Water; 2 H,-10 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:5,6-Dihydro-1H-Pyridin-2-One Compounds As Antiviral Agents And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Hepatitis C Infection
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; Rt -> Reflux; 4 H,Reflux1.2 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; 2 H,-10 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Preparation Of Saturated Fused [1,2-B]-Pyridazinone Compounds For Treatment Or Prevention Of Hepatitis C Virus Infections
  参考文献:World Intellectual Property Organization]
  
  96-73-1 = 96-72-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; 3.5 H,Reflux1.2 Reagents: Ammonium Hydroxide Solvents: Toluene,Tetrahydrofuran; 0 °C; Overnight,0 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Thromboxane Receptor Antagonists
  参考文献:World Intellectual Property Organization]
  
  4533-95-3 = 96-72-0
  反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran,Water; Overnight,0 °C -> Rt
  标题:Synthesis,Herbicidal Activity,Crop Safety And Soil Degradation Of Pyrimidine- And Triazine-Substituted Chlorsulfuron Derivatives
  作者:Wu,Lei; Gu,Yu-Cheng; Li,Yong-Hong; Zhou,Sha; Wang,Zhong-Wen; Et Al
  参考文献:Molecules 日期:2022 卷标:27(7)]
  
  6283-25-6 = 96-72-0
  反应条件:1.1 Reagents: Acetic Acid,Sodium Nitrite,Hydrochloric Acid Solvents: Water1.2 Reagents: Cupric Chloride,Sodium Bisulfite,Hydrochloric Acid Solvents: Water; < 0 °C1.3 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran; 4 H,Rt
  标题:Controllable Soil Degradation Rate Of 5-Substituted Sulfonylurea Herbicides As Novel Ahas Inhibitors
  作者:Zhou,Shaa; Meng,Fan-Fei; Hua,Xue-Wen; Li,Yong-Hong; Liu,Bin; Et Al
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2020 卷标:68(10) 页码:3017-3025

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